1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole

C20H24N2O2 — CID 16996898

IUPAC1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole
SMILESCOCc1nc2ccccc2n1CCCOc1cccc(C)c1C
InChIInChI=1S/C20H24N2O2/c1-15-8-6-11-19(16(15)2)24-13-7-12-22-18-10-5-4-9-17(18)21-20(22)14-23-3/h4-6,8-11H,7,12-14H2,1-3H3
InChIKeyPBRQGQOJLKYIPG-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.27
Rot. Bonds7

About 1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole

1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole (PubChem CID 16996898) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole.

Molecular Properties

Compound Name1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole
PubChem CID16996898
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole
SMILESCOCc1nc2ccccc2n1CCCOc1cccc(C)c1C
InChIInChI=1S/C20H24N2O2/c1-15-8-6-11-19(16(15)2)24-13-7-12-22-18-10-5-4-9-17(18)21-20(22)14-23-3/h4-6,8-11H,7,12-14H2,1-3H3
InChIKeyPBRQGQOJLKYIPG-UHFFFAOYSA-N
XLogP4.27
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2,3-dimethylphenoxy)propyl]-2-methylbenzimidazole
CID 16995230
2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole
CID 16997332
1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole
CID 16995249
2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 3287715
2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride
CID 44654062
2-[(4-chlorophenyl)methyl]-1-[4-(2,3-dimethylphenoxy)butyl]benzimidazole
CID 16995841
5-chloro-2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole
CID 46308613
N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16980583
N-[2-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976257
3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid
CID 82144857
N-[2-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974769
N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982256

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole?
The IUPAC name of 1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole (CID 16996898) is 1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole.
What is the SMILES notation for 1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole?
The canonical SMILES for 1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole is COCc1nc2ccccc2n1CCCOc1cccc(C)c1C.
What is the InChIKey of 1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole?
The InChIKey is PBRQGQOJLKYIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-8-6-11-19(16(15)2)24-13-7-12-22-18-10-5-4-9-17(18)21-20(22)14-23-3/h4-6,8-11H,7,12-14H2,1-3H3.
What are the key properties of 1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole?
1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole has a molecular weight of 324.42 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole is sourced from PubChem (CID 16996898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).